化合物信息

ID:9810

基本信息
化学结构
MolImage
分子式
C₁₃F₂₈
分子量
688.0943896
精确质量
687.95529016
电荷
0
InChI
InChI=1S/C13F28/c14-1(15,2(16,17)4(20,21)6(24,25)8(28,29)10(32,33)12(36,37)38)3(18,19)5(22,23)7(26,27)9(30,31)11(34,35)13(39,40)41
InChIKey
XJRHWVMSUNRDCA-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
计算属性
JChem
质子受体
0
质子供体
0
LogD (pH = 5.5)
9.788787
LogD (pH = 7.4)
9.788787
Log P
9.788787
摩尔折射率
64.2172
极化性
25.883804
极化表面积
0.0
可自由旋转的化学键
12
里宾斯基五规则
false
数据来源
名称和标识
数据登录号
化合物性质
分子相关蛋白质
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分子图谱
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描述信息
暂无数据
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参考文献
生物活性
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